5-bromo-2-ethyl-7-methyl-3-nitropyrazolo[1,5-a]pyridine;5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-amine;5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridine;2-[(5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

C51H50Br4FN13O2S — CID 160728318

About 5-bromo-2-ethyl-7-methyl-3-nitropyrazolo[1,5-a]pyridine;5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-amine;5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridine;2-[(5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

5-bromo-2-ethyl-7-methyl-3-nitropyrazolo[1,5-a]pyridine;5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-amine;5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridine;2-[(5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (PubChem CID 160728318) has the molecular formula C51H50Br4FN13O2S and a molecular weight of 1247.73 g/mol. Its IUPAC name is 5-bromo-2-ethyl-7-methyl-3-nitropyrazolo[1,5-a]pyridine;5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-amine;5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridine;2-[(5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile.

Molecular Properties

• Compound Name: 5-bromo-2-ethyl-7-methyl-3-nitropyrazolo[1,5-a]pyridine;5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-amine;5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridine;2-[(5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
• PubChem CID: 160728318
• Molecular Formula: C51H50Br4FN13O2S
• Molecular Weight: 1247.73 g/mol
• Exact Mass: 1243.06
• IUPAC Name: 5-bromo-2-ethyl-7-methyl-3-nitropyrazolo[1,5-a]pyridine;5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-amine;5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridine;2-[(5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
• SMILES: CCc1cc2cc(Br)cc(C)n2n1.CCc1nn2c(C)cc(Br)cc2c1N.CCc1nn2c(C)cc(Br)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.CCc1nn2c(C)cc(Br)cc2c1[N+](=O)[O-]
• InChI: InChI=1S/C21H17BrFN5S.C10H10BrN3O2.C10H12BrN3.C10H11BrN2/c1-4-16-20(17-10-14(22)9-12(2)28(17)26-16)27(3)21-25-19(18(11-24)29-21)13-5-7-15(23)8-6-13;1-3-8-10(14(15)16)9-5-7(11)4-6(2)13(9)12-8;1-3-8-10(12)9-5-7(11)4-6(2)14(9)13-8;1-3-9-6-10-5-8(11)4-7(2)13(10)12-9/h5-10H,4H2,1-3H3;4-5H,3H2,1-2H3;4-5H,3,12H2,1-2H3;4-6H,3H2,1-2H3
• InChIKey: RTZPPZQGKLTOEA-UHFFFAOYSA-N
• XLogP: 14.26
• TPSA: 178.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 8
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1247.73
LogP ≤ 5	14.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-ethyl-7-methyl-3-nitropyrazolo[1,5-a]pyridine;5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-amine;5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridine;2-[(5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?

The IUPAC name of 5-bromo-2-ethyl-7-methyl-3-nitropyrazolo[1,5-a]pyridine;5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-amine;5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridine;2-[(5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (CID 160728318) is 5-bromo-2-ethyl-7-methyl-3-nitropyrazolo[1,5-a]pyridine;5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-amine;5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridine;2-[(5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile.

What is the SMILES notation for 5-bromo-2-ethyl-7-methyl-3-nitropyrazolo[1,5-a]pyridine;5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-amine;5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridine;2-[(5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?

The canonical SMILES for 5-bromo-2-ethyl-7-methyl-3-nitropyrazolo[1,5-a]pyridine;5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-amine;5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridine;2-[(5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is CCc1cc2cc(Br)cc(C)n2n1.CCc1nn2c(C)cc(Br)cc2c1N.CCc1nn2c(C)cc(Br)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.CCc1nn2c(C)cc(Br)cc2c1[N+](=O)[O-].

What is the InChIKey of 5-bromo-2-ethyl-7-methyl-3-nitropyrazolo[1,5-a]pyridine;5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-amine;5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridine;2-[(5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?

The InChIKey is RTZPPZQGKLTOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrFN5S.C10H10BrN3O2.C10H12BrN3.C10H11BrN2/c1-4-16-20(17-10-14(22)9-12(2)28(17)26-16)27(3)21-25-19(18(11-24)29-21)13-5-7-15(23)8-6-13;1-3-8-10(14(15)16)9-5-7(11)4-6(2)13(9)12-8;1-3-8-10(12)9-5-7(11)4-6(2)14(9)13-8;1-3-9-6-10-5-8(11)4-7(2)13(10)12-9/h5-10H,4H2,1-3H3;4-5H,3H2,1-2H3;4-5H,3,12H2,1-2H3;4-6H,3H2,1-2H3.

What are the key properties of 5-bromo-2-ethyl-7-methyl-3-nitropyrazolo[1,5-a]pyridine;5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-amine;5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridine;2-[(5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?

5-bromo-2-ethyl-7-methyl-3-nitropyrazolo[1,5-a]pyridine;5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-amine;5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridine;2-[(5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile has a molecular weight of 1247.73 g/mol, XLogP of 14.26, 8 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-2-ethyl-7-methyl-3-nitropyrazolo[1,5-a]pyridine;5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-amine;5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridine;2-[(5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 160728318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).